Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6rxy_UA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 8.A OG VAL 689.A O no hydrogen 3.054 N/A LEU 10.A N THR 49.A OG1 no hydrogen 3.069 N/A LEU 11.A N LEU 687.A O no hydrogen 2.936 N/A TYR 15.A OH GLY 18.A O no hydrogen 2.144 N/A CYS 16.A N PRO 32.A O no hydrogen 2.778 N/A LEU 21.A N PHE 30.A O no hydrogen 3.026 N/A SER 23.A N HIS 28.A O no hydrogen 2.922 N/A GLY 26.A N SER 23.A O no hydrogen 2.749 N/A THR 27.A OG1 ASN 41.A OD1 no hydrogen 3.398 N/A HIS 28.A ND1 THR 27.A OG1 no hydrogen 2.414 N/A LEU 29.A N PHE 40.A O no hydrogen 2.820 N/A PHE 30.A N LEU 21.A O no hydrogen 2.782 N/A SER 31.A N THR 38.A O no hydrogen 2.946 N/A SER 31.A OG THR 38.A OG1 no hydrogen 3.422 N/A VAL 33.A N ARG 36.A O no hydrogen 2.829 N/A ASN 35.A ND2 HIS 54.A O no hydrogen 2.391 N/A ARG 36.A N VAL 33.A O no hydrogen 2.755 N/A THR 38.A N SER 31.A O no hydrogen 2.950 N/A THR 38.A OG1 SER 31.A O no hydrogen 3.554 N/A THR 38.A OG1 SER 31.A OG no hydrogen 3.422 N/A VAL 39.A N TYR 48.A O no hydrogen 2.895 N/A PHE 40.A N LEU 29.A O no hydrogen 2.834 N/A LYS 46.A N ASN 41.A O no hydrogen 3.028 N/A TYR 48.A N VAL 39.A O no hydrogen 2.954 N/A HIS 54.A N ASN 35.A O no hydrogen 3.320 N/A ASN 57.A ND2 GLU 75.A OE1 no hydrogen 3.013 N/A ILE 58.A N GLY 34.A O no hydrogen 3.236 N/A SER 59.A N ILE 73.A O no hydrogen 2.638 N/A SER 59.A OG ASN 57.A O no hydrogen 3.491 N/A ARG 60.A N ILE 73.A O no hydrogen 3.014 N/A GLY 62.A N LEU 71.A O no hydrogen 2.939 N/A THR 64.A N LEU 69.A O no hydrogen 2.958 N/A GLY 67.A N THR 64.A O no hydrogen 2.428 N/A ASN 68.A N ASN 68.A OD1 no hydrogen 2.246 N/A LEU 70.A N THR 82.A O no hydrogen 2.899 N/A LEU 71.A N GLY 62.A O no hydrogen 2.944 N/A SER 72.A N ILE 80.A O no hydrogen 2.940 N/A SER 72.A OG ILE 80.A O no hydrogen 3.408 N/A ILE 73.A N ARG 60.A O no hydrogen 2.885 N/A ASP 74.A N GLN 78.A O no hydrogen 2.782 N/A GLU 75.A N ASN 57.A O no hydrogen 2.895 N/A GLY 77.A N ASP 74.A O no hydrogen 2.813 N/A ILE 80.A N SER 72.A O no hydrogen 2.964 N/A LEU 81.A N TYR 91.A O no hydrogen 3.008 N/A THR 82.A N LEU 70.A O no hydrogen 2.914 N/A THR 82.A OG1 ASN 83.A O no hydrogen 2.448 N/A THR 82.A OG1 VAL 88.A O no hydrogen 2.348 N/A VAL 84.A N ASN 68.A O no hydrogen 2.481 N/A VAL 88.A N ARG 86.A O no hydrogen 2.750 N/A LEU 90.A N LEU 81.A O no hydrogen 2.871 N/A TYR 91.A N LEU 81.A O no hydrogen 3.027 N/A PHE 93.A N ALA 79.A O no hydrogen 2.910 N/A SER 94.A OG GLN 78.A OE1 no hydrogen 3.141 N/A THR 100.A N GLY 114.A O no hydrogen 3.044 N/A THR 100.A OG1 GLY 114.A O no hydrogen 2.543 N/A THR 100.A OG1 VAL 154.A O no hydrogen 3.116 N/A ALA 101.A N GLY 114.A O no hydrogen 2.908 N/A ALA 103.A N VAL 112.A O no hydrogen 2.997 N/A SER 105.A N HIS 110.A O no hydrogen 2.966 N/A SER 107.A N SER 105.A OG no hydrogen 2.913 N/A SER 107.A N SER 163.A OG no hydrogen 2.986 N/A GLY 108.A N SER 105.A O no hydrogen 2.807 N/A PHE 111.A N TRP 122.A O no hydrogen 2.947 N/A VAL 112.A N ALA 103.A O no hydrogen 2.921 N/A VAL 113.A N GLU 120.A O no hydrogen 2.850 N/A GLY 114.A N ALA 101.A O no hydrogen 2.657 N/A LEU 115.A N LYS 118.A O no hydrogen 3.027 N/A ARG 117.A NH1 HIS 150.A O no hydrogen 3.251 N/A ILE 119.A N HIS 147.A O no hydrogen 2.998 N/A GLU 120.A N VAL 113.A O no hydrogen 2.871 N/A VAL 121.A N HIS 145.A O no hydrogen 2.970 N/A TRP 122.A N PHE 111.A O no hydrogen 3.003 N/A HIS 123.A N VAL 142.A O no hydrogen 3.128 N/A VAL 124.A N ARG 109.A O no hydrogen 2.893 N/A THR 130.A N THR 127.A O no hydrogen 2.779 N/A ASN 131.A N THR 127.A O no hydrogen 3.005 N/A GLU 137.A N TYR 91.A OH no hydrogen 2.998 N/A HIS 144.A N VAL 121.A O no hydrogen 3.049 N/A HIS 144.A NE2 ASP 181.A OD1 no hydrogen 3.358 N/A HIS 145.A N VAL 121.A O no hydrogen 3.063 N/A THR 146.A OG1 ILE 119.A O no hydrogen 3.233 N/A THR 146.A OG1 GLU 120.A OE1 no hydrogen 2.865 N/A HIS 147.A N ILE 119.A O no hydrogen 2.909 N/A ARG 155.A N ALA 169.A O no hydrogen 3.190 N/A HIS 156.A N ALA 169.A O no hydrogen 3.021 N/A GLU 158.A N LEU 167.A O no hydrogen 2.967 N/A TRP 159.A NE1 ALA 103.A O no hydrogen 3.229 N/A SER 160.A N PHE 165.A O no hydrogen 2.893 N/A SER 160.A OG PHE 165.A O no hydrogen 2.386 N/A SER 163.A OG SER 105.A OG no hydrogen 2.274 N/A ARG 164.A NE ASP 162.A OD2 no hydrogen 2.383 N/A PHE 165.A N SER 160.A OG no hydrogen 3.162 N/A PHE 166.A N TRP 178.A O no hydrogen 2.947 N/A LEU 167.A N GLU 158.A O no hydrogen 2.921 N/A SER 168.A N ARG 176.A O no hydrogen 2.927 N/A SER 168.A OG ARG 176.A O no hydrogen 2.607 N/A ALA 169.A N HIS 156.A O no hydrogen 2.802 N/A SER 170.A N THR 174.A O no hydrogen 3.043 N/A SER 170.A OG ASP 153.A O no hydrogen 3.535 N/A SER 170.A OG ASP 172.A OD1 no hydrogen 2.498 N/A LYS 171.A N ASP 153.A O no hydrogen 2.691 N/A ASP 172.A N SER 170.A OG no hydrogen 2.369 N/A THR 174.A OG1 ASP 172.A OD1 no hydrogen 2.286 N/A ALA 175.A N LEU 191.A O no hydrogen 2.973 N/A ARG 176.A N SER 168.A O no hydrogen 2.952 N/A ARG 176.A N SER 168.A OG no hydrogen 3.225 N/A ARG 176.A NH2 GLN 149.A OE1 no hydrogen 2.690 N/A ILE 177.A N THR 189.A O no hydrogen 2.905 N/A TRP 178.A N PHE 166.A O no hydrogen 2.993 N/A TRP 178.A NE1 SER 168.A OG no hydrogen 2.351 N/A SER 179.A OG ASP 181.A O no hydrogen 3.246 N/A LEU 180.A N ARG 164.A O no hydrogen 2.812 N/A GLY 185.A N GLU 183.A OE1 no hydrogen 2.678 N/A THR 189.A N ILE 177.A O no hydrogen 3.097 N/A THR 189.A OG1 VAL 190.A O no hydrogen 3.248 N/A LEU 191.A N ALA 175.A O no hydrogen 2.870 N/A ARG 195.A NE ASP 216.A OD2 no hydrogen 3.143 N/A ARG 195.A NH2 ASP 216.A OD2 no hydrogen 3.025 N/A VAL 199.A N VAL 213.A O no hydrogen 2.819 N/A GLY 200.A N VAL 213.A O no hydrogen 3.011 N/A TYR 202.A N TYR 211.A O no hydrogen 2.995 N/A SER 204.A N THR 209.A O no hydrogen 2.948 N/A SER 204.A OG ASP 206.A O no hydrogen 2.275 N/A SER 204.A OG THR 209.A O no hydrogen 2.685 N/A SER 204.A OG THR 209.A OG1 no hydrogen 3.381 N/A LYS 205.A NZ GLU 258.A O no hydrogen 3.476 N/A GLN 207.A NE2 ASP 162.A OD1 no hydrogen 2.875 N/A GLU 208.A N SER 204.A OG no hydrogen 3.101 N/A GLU 208.A N ASP 206.A O no hydrogen 2.461 N/A THR 209.A OG1 GLU 221.A OE2 no hydrogen 3.009 N/A ILE 210.A N TRP 222.A O no hydrogen 3.069 N/A TYR 211.A N TYR 202.A O no hydrogen 2.967 N/A THR 212.A N PHE 220.A O no hydrogen 2.986 N/A THR 212.A OG1 PHE 220.A O no hydrogen 3.407 N/A VAL 213.A N GLY 200.A O no hydrogen 2.859 N/A SER 214.A N ALA 218.A O no hydrogen 2.910 N/A LYS 215.A N GLY 197.A O no hydrogen 2.617 N/A LYS 215.A NZ LEU 250.A O no hydrogen 3.319 N/A GLY 217.A N SER 214.A O no hydrogen 2.500 N/A ALA 218.A N SER 214.A O no hydrogen 2.973 N/A VAL 219.A N HIS 241.A O no hydrogen 2.879 N/A PHE 220.A N THR 212.A O no hydrogen 2.891 N/A GLU 221.A N ASN 239.A O no hydrogen 2.935 N/A TRP 222.A N ILE 210.A O no hydrogen 2.995 N/A TRP 222.A NE1 THR 212.A OG1 no hydrogen 2.917 N/A LYS 223.A N ARG 236.A O no hydrogen 2.869 N/A GLY 229.A N LYS 227.A O no hydrogen 2.671 N/A GLN 234.A N VAL 225.A O no hydrogen 2.457 N/A ARG 236.A N LYS 223.A O no hydrogen 2.923 N/A VAL 238.A N GLU 221.A O no hydrogen 2.848 N/A ASN 239.A N GLU 221.A O no hydrogen 3.175 N/A HIS 241.A N VAL 219.A O no hydrogen 3.010 N/A PHE 243.A N GLY 217.A O no hydrogen 2.901 N/A THR 249.A OG1 LEU 250.A O no hydrogen 3.211 N/A ARG 251.A N GLY 265.A O no hydrogen 3.012 N/A ARG 251.A NE THR 249.A OG1 no hydrogen 3.356 N/A CYS 252.A N GLY 265.A O no hydrogen 3.055 N/A CYS 252.A SG VAL 295.A O no hydrogen 3.761 N/A ALA 254.A N VAL 263.A O no hydrogen 3.044 N/A HIS 256.A N LEU 261.A O no hydrogen 2.875 N/A LEU 261.A N HIS 256.A O no hydrogen 3.059 N/A LEU 262.A N TYR 274.A O no hydrogen 2.964 N/A VAL 263.A N ALA 254.A O no hydrogen 2.873 N/A ALA 264.A N GLY 272.A O no hydrogen 2.992 N/A GLY 265.A N CYS 252.A O no hydrogen 2.917 N/A PHE 266.A N ILE 270.A O no hydrogen 3.190 N/A SER 267.A N THR 249.A O no hydrogen 2.724 N/A SER 267.A OG THR 249.A O no hydrogen 3.281 N/A GLY 269.A N PHE 266.A O no hydrogen 2.973 N/A PHE 271.A N LEU 285.A O no hydrogen 2.931 N/A GLY 272.A N ALA 264.A O no hydrogen 2.972 N/A LEU 273.A N HIS 283.A O no hydrogen 2.900 N/A TYR 274.A N LEU 262.A O no hydrogen 2.883 N/A GLU 275.A N ASN 280.A O no hydrogen 2.779 N/A MET 276.A N ASN 260.A O no hydrogen 2.994 N/A PHE 279.A N MET 276.A O no hydrogen 2.558 N/A ASN 280.A N GLU 275.A O no hydrogen 3.090 N/A HIS 283.A N LEU 273.A O no hydrogen 3.205 N/A THR 284.A OG1 PHE 271.A O no hydrogen 2.375 N/A LEU 285.A N PHE 271.A O no hydrogen 2.975 N/A ILE 287.A N GLY 269.A O no hydrogen 2.916 N/A SER 288.A N GLY 269.A O no hydrogen 3.302 N/A ASP 293.A N GLY 307.A O no hydrogen 3.024 N/A PHE 294.A N GLY 307.A O no hydrogen 2.993 N/A THR 296.A N ALA 305.A O no hydrogen 3.029 N/A THR 296.A OG1 VAL 295.A O no hydrogen 2.557 N/A ASN 298.A N TRP 303.A O no hydrogen 2.936 N/A SER 300.A N ASN 298.A OD1 no hydrogen 2.463 N/A LEU 304.A N TRP 317.A O no hydrogen 3.008 N/A ALA 305.A N THR 296.A O no hydrogen 2.879 N/A PHE 306.A N LEU 315.A O no hydrogen 2.896 N/A GLY 307.A N PHE 294.A O no hydrogen 2.816 N/A ALA 308.A N GLN 313.A O no hydrogen 2.967 N/A GLN 313.A NE2 ILE 287.A O no hydrogen 3.600 N/A LEU 315.A N PHE 306.A O no hydrogen 2.970 N/A VAL 316.A N LEU 326.A O no hydrogen 2.929 N/A TRP 317.A N LEU 304.A O no hydrogen 2.896 N/A GLU 318.A N SER 323.A O no hydrogen 2.928 N/A GLN 320.A N GLU 318.A OE2 no hydrogen 2.522 N/A GLU 322.A N TRP 319.A O no hydrogen 2.754 N/A SER 323.A N GLU 318.A O no hydrogen 3.006 N/A SER 323.A OG SER 321.A O no hydrogen 2.386 N/A ILE 325.A N VAL 316.A O no hydrogen 2.735 N/A LEU 326.A N VAL 316.A O no hydrogen 2.997 N/A LYS 327.A NZ TYR 324.A OH no hydrogen 2.508 N/A GLN 328.A N LEU 314.A O no hydrogen 2.929 N/A GLN 328.A NE2 CYS 366.A O no hydrogen 3.151 N/A SER 337.A N ALA 350.A O no hydrogen 3.096 N/A SER 337.A OG ASN 336.A O no hydrogen 2.497 N/A VAL 339.A N VAL 348.A O no hydrogen 2.973 N/A SER 341.A N ARG 346.A O no hydrogen 2.959 N/A SER 341.A OG ARG 346.A O no hydrogen 3.566 N/A GLY 344.A N SER 341.A O no hydrogen 2.430 N/A ILE 347.A N TRP 359.A O no hydrogen 2.933 N/A VAL 348.A N VAL 339.A O no hydrogen 2.973 N/A THR 349.A N LYS 357.A O no hydrogen 2.947 N/A THR 349.A OG1 SER 337.A O no hydrogen 3.355 N/A ALA 350.A N SER 337.A O no hydrogen 2.892 N/A ASP 352.A N ALA 334.A O no hydrogen 3.017 N/A ILE 356.A N PHE 370.A O no hydrogen 2.961 N/A LYS 357.A N THR 349.A O no hydrogen 3.052 N/A LYS 357.A NZ GLN 329.A O no hydrogen 2.278 N/A VAL 358.A N VAL 368.A O no hydrogen 2.923 N/A TRP 359.A N ILE 347.A O no hydrogen 2.915 N/A ASP 360.A N PHE 365.A O no hydrogen 2.736 N/A SER 363.A OG GLU 362.A O no hydrogen 2.587 N/A VAL 368.A N VAL 358.A O no hydrogen 3.241 N/A PHE 370.A N ILE 356.A O no hydrogen 2.896 N/A VAL 377.A N ALA 351.A O no hydrogen 3.149 N/A THR 378.A OG1 ALA 392.A O no hydrogen 2.849 N/A THR 378.A OG1 THR 421.A O no hydrogen 2.667 N/A GLU 381.A N PHE 390.A O no hydrogen 2.946 N/A LYS 385.A NZ SER 428.A O no hydrogen 2.269 N/A GLY 386.A N ALA 383.A O no hydrogen 2.829 N/A LEU 389.A N TRP 401.A O no hydrogen 2.934 N/A PHE 390.A N GLU 381.A O no hydrogen 2.995 N/A THR 391.A N ARG 399.A O no hydrogen 2.955 N/A THR 391.A OG1 ARG 399.A O no hydrogen 3.242 N/A ALA 392.A N ALA 379.A O no hydrogen 2.925 N/A SER 393.A OG ASP 395.A OD1 no hydrogen 3.062 N/A SER 393.A OG SER 397.A O no hydrogen 3.266 N/A LEU 394.A N GLY 376.A O no hydrogen 2.778 N/A GLY 396.A N SER 393.A O no hydrogen 3.317 N/A SER 397.A N ASP 395.A OD1 no hydrogen 2.681 N/A SER 397.A OG ASP 395.A OD1 no hydrogen 2.445 N/A SER 397.A OG ASP 395.A OD2 no hydrogen 2.931 N/A VAL 398.A N PHE 412.A O no hydrogen 2.862 N/A ARG 399.A N THR 391.A O no hydrogen 2.917 N/A ALA 400.A N ARG 410.A O no hydrogen 2.910 N/A TRP 401.A N LEU 389.A O no hydrogen 2.939 N/A ASP 402.A N ARG 407.A O no hydrogen 2.872 N/A LEU 403.A N SER 387.A O no hydrogen 2.807 N/A ILE 404.A N ASP 402.A OD1 no hydrogen 3.002 N/A ARG 407.A N ASP 402.A O no hydrogen 3.346 N/A ARG 410.A N ALA 400.A O no hydrogen 3.095 N/A ARG 410.A NH1 GLN 448.A O no hydrogen 3.560 N/A PHE 412.A N VAL 398.A O no hydrogen 2.794 N/A SER 419.A OG LEU 394.A O no hydrogen 2.754 N/A CYS 422.A N GLY 435.A O no hydrogen 3.018 N/A CYS 422.A SG SER 464.A O no hydrogen 3.100 N/A ALA 424.A N ALA 433.A O no hydrogen 2.954 N/A ASP 426.A N VAL 431.A O no hydrogen 2.879 N/A GLY 429.A N ASP 426.A O no hydrogen 3.251 N/A ILE 432.A N TRP 445.A O no hydrogen 2.967 N/A ALA 433.A N ALA 424.A O no hydrogen 3.026 N/A ALA 434.A N HIS 443.A O no hydrogen 2.904 N/A GLY 435.A N CYS 422.A O no hydrogen 2.828 N/A SER 436.A OG SER 439.A O no hydrogen 2.194 N/A ASP 441.A N SER 439.A OG no hydrogen 3.214 N/A ILE 442.A N LEU 456.A O no hydrogen 2.955 N/A HIS 443.A N ALA 434.A O no hydrogen 2.922 N/A ILE 444.A N ASP 454.A O no hydrogen 2.899 N/A TRP 445.A N ILE 432.A O no hydrogen 3.058 N/A VAL 447.A N GLU 430.A O no hydrogen 3.088 N/A THR 449.A N SER 446.A OG no hydrogen 3.086 N/A GLY 450.A N SER 446.A OG no hydrogen 2.837 N/A LEU 453.A N ILE 444.A O no hydrogen 3.030 N/A ASP 454.A N ILE 444.A O no hydrogen 3.065 N/A LEU 456.A N ILE 442.A O no hydrogen 2.849 N/A SER 457.A OG LEU 456.A O no hydrogen 2.902 N/A SER 464.A N GLY 478.A O no hydrogen 2.486 N/A SER 465.A N GLY 478.A O no hydrogen 3.075 N/A SER 465.A OG SER 464.A O no hydrogen 2.699 N/A SER 465.A OG LEU 506.A O no hydrogen 3.051 N/A ALA 467.A N VAL 476.A O no hydrogen 3.155 N/A ALA 469.A N VAL 474.A O no hydrogen 2.894 N/A GLY 472.A N ALA 469.A O no hydrogen 2.470 N/A SER 473.A N ASP 471.A OD2 no hydrogen 3.025 N/A SER 473.A OG ASP 471.A OD2 no hydrogen 2.905 N/A LEU 475.A N TRP 487.A O no hydrogen 2.846 N/A VAL 476.A N ALA 467.A O no hydrogen 2.968 N/A SER 477.A N ARG 485.A O no hydrogen 3.034 N/A GLY 478.A N SER 465.A O no hydrogen 3.018 N/A SER 479.A N THR 483.A O no hydrogen 2.943 N/A SER 479.A OG PRO 462.A O no hydrogen 2.481 N/A TRP 480.A N PRO 462.A O no hydrogen 3.468 N/A TRP 480.A NE1 SER 464.A OG no hydrogen 2.872 N/A ASP 481.A N SER 479.A OG no hydrogen 3.074 N/A THR 483.A N SER 479.A O no hydrogen 3.084 N/A THR 483.A OG1 LEU 499.A O no hydrogen 2.999 N/A ALA 484.A N LEU 499.A O no hydrogen 3.049 N/A ARG 485.A N SER 477.A O no hydrogen 2.932 N/A ILE 486.A N GLU 497.A O no hydrogen 2.879 N/A TRP 487.A N LEU 475.A O no hydrogen 2.841 N/A SER 488.A N THR 495.A O no hydrogen 3.000 N/A SER 491.A OG THR 493.A O no hydrogen 2.562 N/A GLU 497.A N ILE 486.A O no hydrogen 2.885 N/A GLN 500.A NE2 LEU 501.A O no hydrogen 2.298 N/A LEU 501.A N ARG 482.A O no hydrogen 3.190 N/A SER 503.A OG GLN 502.A O no hydrogen 2.707 N/A LEU 506.A N SER 520.A O no hydrogen 3.078 N/A ASP 507.A N SER 520.A O no hydrogen 3.185 N/A ARG 511.A N GLN 516.A O no hydrogen 2.948 N/A SER 514.A OG ASP 471.A OD2 no hydrogen 3.323 N/A SER 514.A OG SER 514.A O no hydrogen 2.418 N/A GLN 516.A NE2 THR 593.A OG1 no hydrogen 3.353 N/A ILE 517.A N TRP 529.A O no hydrogen 2.933 N/A ALA 518.A N ALA 509.A O no hydrogen 2.950 N/A ILE 519.A N THR 527.A O no hydrogen 3.020 N/A SER 520.A N ASP 507.A O no hydrogen 2.893 N/A SER 520.A OG ASP 507.A O no hydrogen 2.781 N/A SER 520.A OG SER 520.A O no hydrogen 2.437 N/A THR 521.A N GLN 525.A O no hydrogen 3.103 N/A THR 521.A OG1 GLN 525.A O no hydrogen 3.316 N/A LEU 526.A N VAL 540.A O no hydrogen 2.858 N/A THR 527.A N ILE 519.A O no hydrogen 2.968 N/A THR 527.A OG1 ILE 519.A O no hydrogen 3.154 N/A PHE 528.A N SER 538.A O no hydrogen 2.868 N/A TRP 529.A N ILE 517.A O no hydrogen 3.029 N/A SER 530.A N GLN 535.A O no hydrogen 3.406 N/A VAL 531.A N LYS 515.A O no hydrogen 2.757 N/A GLN 536.A NE2 SER 538.A O no hydrogen 3.405 N/A VAL 537.A N PHE 528.A O no hydrogen 2.863 N/A SER 538.A N PHE 528.A O no hydrogen 3.061 N/A SER 538.A OG VAL 537.A O no hydrogen 2.721 N/A VAL 540.A N LEU 526.A O no hydrogen 2.940 N/A ARG 543.A NH2 ASP 523.A O no hydrogen 3.256 N/A VAL 546.A N ARG 543.A O no hydrogen 2.759 N/A ARG 551.A N ASP 554.A OD2 no hydrogen 3.186 N/A THR 564.A OG1 GLY 548.A O no hydrogen 3.268 N/A THR 564.A OG1 THR 564.A O no hydrogen 2.429 N/A THR 564.A OG1 ASN 584.A O no hydrogen 2.935 N/A LYS 565.A NZ ALA 559.A O no hydrogen 2.955 N/A ASN 568.A ND2 ASN 584.A OD1 no hydrogen 3.416 N/A THR 569.A N GLY 582.A O no hydrogen 2.892 N/A THR 569.A OG1 GLY 582.A O no hydrogen 2.904 N/A THR 569.A OG1 SER 668.A O no hydrogen 3.527 N/A ARG 571.A N LEU 580.A O no hydrogen 2.868 N/A SER 573.A N CYS 578.A O no hydrogen 2.915 N/A GLY 576.A N SER 573.A O no hydrogen 2.722 N/A THR 577.A N SER 573.A OG no hydrogen 2.565 N/A CYS 578.A N SER 573.A OG no hydrogen 2.888 N/A CYS 578.A SG THR 577.A OG1 no hydrogen 3.670 N/A LEU 579.A N TYR 591.A O no hydrogen 2.878 N/A LEU 580.A N ARG 571.A O no hydrogen 2.892 N/A ALA 581.A N CYS 589.A O no hydrogen 2.970 N/A GLY 582.A N THR 569.A O no hydrogen 2.870 N/A SER 585.A OG TYR 587.A O no hydrogen 2.822 N/A LYS 586.A NZ TYR 587.A OH no hydrogen 3.219 N/A TYR 587.A N SER 585.A OG no hydrogen 2.476 N/A ILE 588.A N PHE 602.A O no hydrogen 2.846 N/A CYS 589.A N ALA 581.A O no hydrogen 2.989 N/A CYS 589.A SG ASP 545.A O no hydrogen 3.463 N/A LEU 590.A N LYS 600.A O no hydrogen 2.906 N/A TYR 591.A N LEU 579.A O no hydrogen 3.010 N/A SER 592.A N VAL 597.A O no hydrogen 3.161 N/A SER 592.A OG THR 595.A OG1 no hydrogen 2.406 N/A THR 593.A N THR 577.A O no hydrogen 3.190 N/A THR 593.A OG1 TYR 572.A OH no hydrogen 3.088 N/A THR 594.A N SER 592.A OG no hydrogen 3.302 N/A THR 595.A OG1 SER 592.A OG no hydrogen 2.406 N/A LYS 600.A N LEU 590.A O no hydrogen 3.048 N/A LYS 601.A NZ ASP 545.A O no hydrogen 2.688 N/A PHE 602.A N ILE 588.A O no hydrogen 2.928 N/A VAL 604.A N LYS 586.A O no hydrogen 2.963 N/A ASN 607.A ND2 ASN 57.A OD1 no hydrogen 3.189 N/A LEU 608.A N ASN 607.A OD1 no hydrogen 2.419 N/A SER 609.A N ASN 607.A OD1 no hydrogen 3.117 N/A SER 611.A N PRO 663.A O no hydrogen 2.765 N/A THR 613.A N SER 611.A O no hydrogen 2.567 N/A THR 613.A OG1 ASN 607.A O no hydrogen 2.354 N/A LEU 621.A N ASN 618.A O no hydrogen 2.789 N/A MET 622.A N ASN 618.A O no hydrogen 3.174 N/A THR 623.A N GLY 626.A O no hydrogen 3.030 N/A THR 623.A OG1 LEU 621.A O no hydrogen 3.277 N/A LEU 631.A N VAL 628.A O no hydrogen 3.467 N/A GLN 634.A NE2 ILE 644.A O no hydrogen 3.172 N/A ALA 637.A N GLY 635.A O no hydrogen 2.757 N/A ASP 642.A N ASP 639.A O no hydrogen 2.799 N/A ARG 643.A N LEU 640.A O no hydrogen 2.741 N/A ARG 643.A NH2 SER 638.A O no hydrogen 2.319 N/A ILE 644.A N LEU 640.A O no hydrogen 3.043 N/A ARG 666.A NE SER 668.A OG no hydrogen 2.712 N/A VAL 667.A N GLY 583.A O no hydrogen 3.037 N/A SER 668.A N ALA 682.A O no hydrogen 2.831 N/A SER 668.A OG ARG 666.A O no hydrogen 3.398 N/A GLY 669.A N ALA 682.A O no hydrogen 3.190 N/A ALA 671.A N CYS 680.A O no hydrogen 3.042 N/A GLY 676.A N SER 673.A O no hydrogen 2.589 N/A SER 678.A OG ASN 677.A O no hydrogen 2.550 N/A SER 678.A OG SER 691.A OG no hydrogen 2.676 N/A PHE 679.A N TYR 690.A O no hydrogen 2.915 N/A CYS 680.A N ALA 671.A O no hydrogen 2.886 N/A ALA 681.A N LEU 688.A O no hydrogen 2.914 N/A ALA 682.A N GLY 669.A O no hydrogen 2.776 N/A SER 683.A N GLY 686.A O no hydrogen 3.210 N/A THR 684.A OG1 GLU 664.A O no hydrogen 3.130 N/A GLU 685.A N SER 683.A OG no hydrogen 2.474 N/A GLY 686.A N SER 683.A O no hydrogen 2.958 N/A LEU 687.A N LEU 11.A O no hydrogen 3.035 N/A LEU 688.A N ALA 681.A O no hydrogen 2.993 N/A VAL 689.A N ASN 9.A O no hydrogen 2.984 N/A SER 691.A OG ASN 677.A O no hydrogen 2.543 N/A SER 691.A OG SER 678.A OG no hydrogen 2.676 N/A SER 691.A OG LEU 692.A O no hydrogen 3.246 N/A LEU 692.A N ASN 677.A O no hydrogen 2.852 N/A ASP 693.A N ASN 4.A O no hydrogen 3.131 N/A GLN 697.A N ASN 694.A O no hydrogen 2.970 N/A PHE 701.A N ARG 731.A O no hydrogen 2.954 N/A THR 708.A N SER 711.A OG no hydrogen 2.454 N/A THR 708.A OG1 SER 711.A OG no hydrogen 3.133 N/A SER 711.A N THR 708.A OG1 no hydrogen 2.710 N/A SER 711.A OG GLU 706.A O no hydrogen 3.292 N/A SER 711.A OG THR 708.A O no hydrogen 2.294 N/A SER 711.A OG THR 708.A OG1 no hydrogen 3.133 N/A THR 712.A N THR 708.A O no hydrogen 2.952 N/A THR 712.A OG1 THR 708.A O no hydrogen 3.469 N/A THR 712.A OG1 PRO 709.A O no hydrogen 2.271 N/A LEU 713.A N PRO 709.A O no hydrogen 2.915 N/A ALA 714.A N ALA 710.A O no hydrogen 2.859 N/A VAL 715.A N SER 711.A O no hydrogen 2.996 N/A LEU 716.A N THR 712.A O no hydrogen 2.863 N/A GLU 717.A N LEU 713.A O no hydrogen 2.851 N/A GLU 717.A N ALA 714.A O no hydrogen 3.073 N/A LYS 718.A N ALA 714.A O no hydrogen 2.884 N/A GLU 719.A N ALA 714.A O no hydrogen 3.500 N/A ASP 721.A N VAL 715.A O no hydrogen 3.330 N/A ALA 725.A N ASP 721.A O no hydrogen 2.934 N/A LEU 726.A N TYR 722.A O no hydrogen 2.888 N/A VAL 727.A N LEU 723.A O no hydrogen 2.965 N/A MET 728.A N LYS 724.A O no hydrogen 2.955 N/A ALA 729.A N ALA 725.A O no hydrogen 2.851 N/A PHE 730.A N LEU 726.A O no hydrogen 2.960 N/A ARG 731.A N VAL 727.A O no hydrogen 2.903 N/A ARG 731.A NH2 TYR 761.A OH no hydrogen 3.167 N/A LEU 732.A N MET 728.A O no hydrogen 2.863 N/A ASN 733.A N ALA 729.A O no hydrogen 2.862 N/A ASN 733.A ND2 ASP 699.A O no hydrogen 3.237 N/A ILE 738.A N GLU 734.A O no hydrogen 3.077 N/A THR 739.A N ALA 735.A O no hydrogen 2.856 N/A THR 739.A OG1 ALA 735.A O no hydrogen 2.457 N/A ARG 740.A N GLY 736.A O no hydrogen 2.880 N/A VAL 741.A N LEU 737.A O no hydrogen 2.988 N/A TYR 742.A N ILE 738.A O no hydrogen 2.964 N/A GLN 743.A N THR 739.A O no hydrogen 2.908 N/A ALA 744.A N VAL 741.A O no hydrogen 2.813 N/A ILE 745.A N VAL 741.A O no hydrogen 3.107 N/A VAL 753.A N ASP 749.A O no hydrogen 2.944 N/A VAL 754.A N ILE 750.A O no hydrogen 2.979 N/A GLU 755.A N GLY 751.A O no hydrogen 2.938 N/A GLN 756.A N LEU 752.A O no hydrogen 3.015 N/A GLN 756.A N VAL 753.A O no hydrogen 3.169 N/A PHE 757.A N VAL 754.A O no hydrogen 3.207 N/A LEU 765.A N TYR 761.A O no hydrogen 3.234 N/A LEU 766.A N VAL 762.A O no hydrogen 2.928 N/A ARG 767.A N PRO 763.A O no hydrogen 2.991 N/A PHE 768.A N ARG 764.A O no hydrogen 3.020 N/A VAL 769.A N LEU 765.A O no hydrogen 2.975 N/A ALA 770.A N LEU 766.A O no hydrogen 2.965 N/A ALA 771.A N ARG 767.A O no hydrogen 2.999 N/A GLN 772.A N PHE 768.A O no hydrogen 2.955 N/A GLN 772.A NE2 PHE 768.A O no hydrogen 2.627 N/A THR 773.A N VAL 769.A O no hydrogen 2.845 N/A THR 773.A OG1 VAL 769.A O no hydrogen 2.461 N/A GLU 774.A N ALA 770.A O no hydrogen 2.994 N/A GLN 775.A N ALA 771.A O no hydrogen 3.043 N/A SER 776.A N GLN 772.A O no hydrogen 2.910 N/A HIS 778.A ND1 SER 776.A OG no hydrogen 3.169 N/A CYS 782.A N HIS 778.A O no hydrogen 3.043 N/A CYS 782.A SG TYR 742.A OH no hydrogen 2.576 N/A CYS 782.A SG HIS 778.A O no hydrogen 3.215 N/A LEU 783.A N MET 779.A O no hydrogen 2.840 N/A LEU 784.A N GLU 780.A O no hydrogen 2.942 N/A TRP 785.A N PHE 781.A O no hydrogen 3.041 N/A ILE 786.A N CYS 782.A O no hydrogen 3.039 N/A ARG 787.A N LEU 783.A O no hydrogen 2.903 N/A ALA 788.A N LEU 784.A O no hydrogen 3.038 N/A LEU 789.A N TRP 785.A O no hydrogen 2.906 N/A ILE 790.A N ILE 786.A O no hydrogen 3.087 N/A ASP 791.A N ARG 787.A O no hydrogen 2.978 N/A LYS 792.A N ALA 788.A O no hydrogen 2.906 N/A LYS 792.A N LEU 789.A O no hydrogen 3.267 N/A LYS 792.A NZ LYS 792.A O no hydrogen 2.375 N/A HIS 793.A N LEU 789.A O no hydrogen 2.970 N/A LEU 797.A N HIS 793.A O no hydrogen 3.142 N/A ALA 798.A N GLY 794.A O no hydrogen 2.701 N/A ALA 799.A N PRO 795.A O no hydrogen 2.855 N/A ASN 800.A N TRP 796.A O no hydrogen 3.051 N/A ARG 801.A N LEU 797.A O no hydrogen 2.868 N/A LYS 803.A NZ LYS 803.A O no hydrogen 3.487 N/A ASP 805.A N GLY 802.A O no hydrogen 3.236 N/A LEU 808.A N VAL 804.A O no hydrogen 2.917 N/A ARG 809.A N ASP 805.A O no hydrogen 3.050 N/A ARG 809.A NH1 PRO 674.A O no hydrogen 3.364 N/A VAL 810.A N VAL 806.A O no hydrogen 2.890 N/A VAL 811.A N GLU 807.A O no hydrogen 2.978 N/A ALA 812.A N LEU 808.A O no hydrogen 2.960 N/A ARG 813.A N ARG 809.A O no hydrogen 2.997 N/A ALA 814.A N VAL 810.A O no hydrogen 2.942 N/A VAL 815.A N VAL 811.A O no hydrogen 2.988 N/A ALA 816.A N ALA 812.A O no hydrogen 2.960 N/A LYS 817.A N ARG 813.A O no hydrogen 2.928 N/A MET 818.A N ALA 814.A O no hydrogen 3.008 N/A ARG 819.A N VAL 815.A O no hydrogen 2.775 N/A ASP 820.A N ALA 816.A O no hydrogen 2.923 N/A GLU 821.A N MET 818.A O no hydrogen 3.085 N/A ILE 822.A N MET 818.A O no hydrogen 2.960 N/A ILE 822.A N ARG 819.A O no hydrogen 3.289 N/A ARG 823.A N ARG 819.A O no hydrogen 3.056 N/A ALA 826.A N ILE 822.A O no hydrogen 2.942 N/A ASP 827.A N ARG 823.A O no hydrogen 2.939 N/A GLU 828.A N ARG 824.A O no hydrogen 2.906 N/A ASN 829.A N LEU 825.A O no hydrogen 2.851 N/A VAL 830.A N ALA 826.A O no hydrogen 2.971 N/A TYR 831.A N ASP 827.A O no hydrogen 2.915 N/A MET 832.A N GLU 828.A O no hydrogen 2.967 N/A VAL 833.A N ASN 829.A O no hydrogen 2.918 N/A ASP 834.A N VAL 830.A O no hydrogen 2.887 N/A TYR 835.A N TYR 831.A O no hydrogen 2.973 N/A LEU 836.A N MET 832.A O no hydrogen 3.008 N/A LEU 837.A N VAL 833.A O no hydrogen 2.871 N/A ASN 838.A N ASP 834.A O no hydrogen 2.884 N/A GLN 839.A N LEU 836.A O no hydrogen 3.362 N/A